SCHEMBL11199852

SCHEMBL11199852

CC(CC(C)(C)C(=O)O)Oc1cccc(-c2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 8/20 0.46
ELANE P08246 1/20 0.42
CNR2 P34972 2/20 0.40
FFAR4 Q5NUL3 2/20 0.40
CNR1 P21554 1/20 0.39
ADORA1 P30542 2/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
KCNH2 Q12809 1/20 0.37
TRPV3 Q8NET8 1/20 0.36
DUSP10 Q9Y6W6 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
MME P08473 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11208730 0.79 TRPV3 (0.48) LTB4RELANECNR2FFAR4ADORA1
SCHEMBL11204613 0.76 CYP1A2 (0.53) LTB4RELANECNR2FFAR4ADORA1
SCHEMBL11205319 0.75 MEN1 (0.44) LTB4RELANECNR2MEN1RAB9A
SCHEMBL8987484 0.74 LTB4R (0.74) LTB4R
SCHEMBL2301796 0.74 MEN1 (0.54) CNR2MEN1RAB9AKMT2ASLC6A2
SCHEMBL11200300 0.74 TSHR (0.54) CNR2MEN1RAB9AKMT2AADORA3
SCHEMBL11208348 0.73 KLK7 (0.44) ELANECNR2CNR1ADORA1MEN1
SCHEMBL11209392 0.71 MEN1 (0.46) LTB4RELANECNR2FFAR4CNR1
SCHEMBL11150061 0.70 ADORA1 (0.39) LTB4RELANECNR2FFAR4CNR1
SCHEMBL11202960 0.69 CYP1A2 (0.39) LTB4RMEN1RAB9AKMT2ASLC6A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0090353-A1 2-Pyridone derivatives, method for their preparation and pharmaceutical compositions containing them HOECHST AKTIENGESELLSCHAFT (DE) 1983-10-05 EP disclosed